@MOLECULE 5'-o-[{[(2s)-2-amino-4-(methylsulfanyl)butanoyl]oxy}(hydroxy)phosphoryl]adenosine 54 56 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.1941 -2.2966 1.3456 S.3 1 UNL11 -0.0518 2 P 3.5447 0.0099 -1.3113 P.3 1 UNL11 0.3788 3 O -0.2222 3.0332 -0.3302 O.3 1 UNL11 -0.4067 4 O -0.4847 1.6001 2.8870 O.3 1 UNL11 -0.5339 5 O 1.5036 3.1708 2.1913 O.3 1 UNL11 -0.5722 6 O 2.9254 1.4039 -0.9020 O.3 1 UNL11 -0.1797 7 O 2.6622 -1.2158 -0.7326 O.3 1 UNL11 -0.4201 8 O 3.1249 -0.1674 -2.8371 O.3 1 UNL11 -0.3043 9 O 4.9419 -0.0617 -0.9426 O.2 1 UNL11 -0.2181 10 O 2.3414 -0.7347 1.4657 O.2 1 UNL11 -0.5362 11 N -2.1325 1.7761 0.0870 N.ar 1 UNL11 -0.3664 12 N -4.3139 1.3147 -0.4039 N.ar 1 UNL11 -0.3352 13 N -1.0826 -0.0703 -1.2212 N.ar 1 UNL11 -0.5214 14 N -2.7044 -1.4494 -2.3743 N.ar 1 UNL11 -0.5731 15 N -5.0145 -1.1188 -2.2218 N.pl3 1 UNL11 -0.5533 16 N 2.3491 -3.5824 1.8359 N.3 1 UNL11 -0.6294 17 C -0.0996 1.5439 1.5497 C.3 1 UNL11 0.0633 18 C 1.3110 2.1123 1.2686 C.3 1 UNL11 0.0644 19 C -1.0158 2.4751 0.6999 C.3 1 UNL11 0.2449 20 C 1.1658 2.7340 -0.1307 C.3 1 UNL11 0.0542 21 C 1.5733 1.7827 -1.2721 C.3 1 UNL11 -0.0904 22 C -2.1189 0.6636 -0.7427 C.ar 1 UNL11 0.3149 23 C -3.5005 2.1367 0.2495 C.ar 1 UNL11 0.1307 24 C -3.4979 0.3829 -1.0408 C.ar 1 UNL11 -0.2055 25 C -3.7588 -0.7335 -1.8770 C.ar 1 UNL11 0.4737 26 C -1.4460 -1.0902 -2.0267 C.ar 1 UNL11 0.3008 27 C 1.8547 -2.9627 0.6032 C.3 1 UNL11 -0.0039 28 C 2.3069 -1.4880 0.5291 C.2 1 UNL11 0.6154 29 C 0.3158 -3.0240 0.5134 C.3 1 UNL11 -0.2643 30 C -0.3869 -2.3842 1.7049 C.3 1 UNL11 -0.3120 31 C -2.7688 -1.0529 2.5434 C.3 1 UNL11 -0.4915 32 H -0.1848 0.4707 1.2670 H 1 UNL11 0.1791 33 H 2.1208 1.3638 1.3741 H 1 UNL11 0.1898 34 H -1.4093 3.3397 1.2945 H 1 UNL11 0.1610 35 H 1.6675 3.7225 -0.2003 H 1 UNL11 0.1621 36 H 1.6251 2.3230 -2.2384 H 1 UNL11 0.1459 37 H 0.8375 0.9561 -1.3723 H 1 UNL11 0.1926 38 H -0.0500 2.3685 3.3353 H 1 UNL11 0.3432 39 H 2.3854 3.1060 2.6083 H 1 UNL11 0.3335 40 H -3.7995 2.9831 0.8492 H 1 UNL11 0.1989 41 H -0.6310 -1.6974 -2.4585 H 1 UNL11 0.1946 42 H 2.2876 -3.5298 -0.2665 H 1 UNL11 0.1662 43 H 0.0199 -4.0932 0.4272 H 1 UNL11 0.1643 44 H 0.0075 -2.5402 -0.4389 H 1 UNL11 0.1627 45 H -5.8062 -0.6230 -1.8592 H 1 UNL11 0.3280 46 H -5.1614 -1.9260 -2.7945 H 1 UNL11 0.3216 47 H 3.1843 -1.1659 -3.0775 H 1 UNL11 0.3169 48 H -0.2373 -2.9792 2.6239 H 1 UNL11 0.1582 49 H 0.0091 -1.3715 1.9133 H 1 UNL11 0.1689 50 H 3.3560 -3.6145 1.8726 H 1 UNL11 0.2578 51 H 2.0050 -3.1164 2.6637 H 1 UNL11 0.2657 52 H -3.7782 -0.7376 2.2495 H 1 UNL11 0.1736 53 H -2.1329 -0.1584 2.5646 H 1 UNL11 0.1787 54 H -2.8166 -1.4598 3.5579 H 1 UNL11 0.1649 @BOND 1 1 30 1 2 1 31 1 3 2 6 1 4 2 7 1 5 2 8 1 6 2 9 2 7 3 19 1 8 3 20 1 9 4 17 1 10 4 38 1 11 5 18 1 12 5 39 1 13 6 21 1 14 7 28 1 15 8 47 1 16 10 28 2 17 11 19 1 18 11 22 ar 19 11 23 ar 20 12 23 ar 21 12 24 ar 22 13 22 ar 23 13 26 ar 24 14 25 ar 25 14 26 ar 26 15 25 1 27 15 45 1 28 15 46 1 29 16 27 1 30 16 50 1 31 16 51 1 32 17 18 1 33 17 32 1 34 18 20 1 35 18 33 1 36 19 17 1 37 19 34 1 38 20 21 1 39 20 35 1 40 21 36 1 41 21 37 1 42 22 24 ar 43 23 40 1 44 24 25 ar 45 26 41 1 46 27 28 1 47 27 29 1 48 27 42 1 49 29 30 1 50 29 43 1 51 29 44 1 52 30 48 1 53 30 49 1 54 31 52 1 55 31 53 1 56 31 54 1